(2S)-2-azanyl-N-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]-3-methyl-butanamide

Systemtic Name: (2S)-2-azanyl-N-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]-3-methyl-butanamide Openeye Name: (2S)-2-amino-N-[1-(6,7-dimethoxyquinazolin-4-yl)-4-piperidyl]-3-methyl-butanamide CAS Name: (2S)-2-amino-N-[1-(6,7-dimethoxy-4-quinazolinyl)-4-piperidinyl]-3-methylbutanamide IUPAC Name: (2S)-2-amino-N-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]-3-methylbutanamide Traditional Name: (2S)-2-amino-N-[1-(6,7-dimethoxyquinazolin-4-yl)-4-piperidyl]-3-methyl-butyramide Formula: C20H29N5O3 MolecularWeight: 387.47596

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1CCN(CC1)C2=NC=NC3=CC(=C(C=C32)OC)OC)N

Isomeric SMILES

CC(C)[C@@H](C(=O)NC1CCN(CC1)C2=NC=NC3=CC(=C(C=C32)OC)OC)N

InChI

InChI=1S/C20H29N5O3/c1-12(2)18(21)20(26)24-13-5-7-25(8-6-13)19-14-9-16(27-3)17(28-4)10-15(14)22-11-23-19/h9-13,18H,5-8,21H2,1-4H3,(H,24,26)/t18-/m0/s1